2-[[3,4-bis(fluoranyl)phenyl]-methanoyl-amino]-3-methyl-pentanoic acid

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]-methanoyl-amino]-3-methyl-pentanoic acid Openeye Name: 2-(3,4-difluoro-N-formyl-anilino)-3-methyl-pentanoic acid CAS Name: 2-(3,4-difluoro-N-formylanilino)-3-methylpentanoic acid IUPAC Name: 2-(3,4-difluoro-N-formylanilino)-3-methylpentanoic acid Traditional Name: 2-(3,4-difluoro-N-formyl-anilino)-3-methyl-valeric acid Formula: C13H15F2NO3 MolecularWeight: 271.259906

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N(C=O)C1=CC(=C(C=C1)F)F

Isomeric SMILES

CCC(C)C(C(=O)O)N(C=O)C1=CC(=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3/c1-3-8(2)12(13(18)19)16(7-17)9-4-5-10(14)11(15)6-9/h4-8,12H,3H2,1-2H3,(H,18,19)